CID 86721978

1428761-14-1

Structural Information

Molecular Formula
C14H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)CC(=O)OC
InChI
InChI=1S/C14H20BNO4/c1-13(2)14(3,4)20-15(19-13)10-6-7-11(16-9-10)8-12(17)18-5/h6-7,9H,8H2,1-5H3
InChIKey
JTRYMPVRASMMPR-UHFFFAOYSA-N
Compound name
methyl 2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

277.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.155806 158.0
[M+Na]+ 300.137748 167.0
[M-H]- 276.141254 165.4
[M+NH4]+ 295.182353 176.4
[M+K]+ 316.111688 168.1
[M+H-H2O]+ 260.145790 152.7
[M+HCOO]- 322.146731 177.1
[M+CH3COO]- 336.162381 198.2
[M+Na-2H]- 298.123196 162.7
[M]+ 277.14798142 163.6
[M]- 277.14907858 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe